4-[[5-hydroxy-2-[(8Z,10Z)-tetradeca-8,10-dienyl]phenyl]diazenyl]benzoic acid

C27H34N2O3 — CID 11419132

IUPAC4-[[5-hydroxy-2-[(8Z,10Z)-tetradeca-8,10-dienyl]phenyl]diazenyl]benzoic acid
SMILESCCC/C=C\C=C/CCCCCCCc1ccc(O)cc1/N=N/c1ccc(C(=O)O)cc1
InChIInChI=1S/C27H34N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-17-20-25(30)21-26(22)29-28-24-18-15-23(16-19-24)27(31)32/h4-7,15-21,30H,2-3,8-14H2,1H3,(H,31,32)/b5-4-,7-6-,29-28+
InChIKeyYVNFJYCUARHWFK-ZARWWILXSA-N
MW434.58 g/mol
LogP8.30
Rot. Bonds14

About 4-[[5-hydroxy-2-[(8Z,10Z)-tetradeca-8,10-dienyl]phenyl]diazenyl]benzoic acid

4-[[5-hydroxy-2-[(8Z,10Z)-tetradeca-8,10-dienyl]phenyl]diazenyl]benzoic acid (PubChem CID 11419132) has the molecular formula C27H34N2O3 and a molecular weight of 434.58 g/mol. Its IUPAC name is 4-[[5-hydroxy-2-[(8Z,10Z)-tetradeca-8,10-dienyl]phenyl]diazenyl]benzoic acid.

Molecular Properties

Compound Name4-[[5-hydroxy-2-[(8Z,10Z)-tetradeca-8,10-dienyl]phenyl]diazenyl]benzoic acid
PubChem CID11419132
Molecular FormulaC27H34N2O3
Molecular Weight434.58 g/mol
Exact Mass434.26
IUPAC Name4-[[5-hydroxy-2-[(8Z,10Z)-tetradeca-8,10-dienyl]phenyl]diazenyl]benzoic acid
SMILESCCC/C=C\C=C/CCCCCCCc1ccc(O)cc1/N=N/c1ccc(C(=O)O)cc1
InChIInChI=1S/C27H34N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-17-20-25(30)21-26(22)29-28-24-18-15-23(16-19-24)27(31)32/h4-7,15-21,30H,2-3,8-14H2,1H3,(H,31,32)/b5-4-,7-6-,29-28+
InChIKeyYVNFJYCUARHWFK-ZARWWILXSA-N
XLogP8.30
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 58.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(2-methylbutanoyloxy)-2-[(8Z,11Z)-pentadeca-8,11-dienyl]phenyl]diazenyl]benzoic acid
CID 59927745
4-[(4-nitrophenyl)diazenyl]-3-[(8E,11E)-pentadeca-8,11-dienyl]phenol
CID 136771628
4-[(4-hydroxy-2-pentadecylphenyl)diazenyl]benzenesulfonic acid
CID 136827496
4-(2-decyl-4-hydroxyphenyl)benzoic acid
CID 70357774
4-[(2-chloro-4-nitrophenyl)diazenyl]-3-[(8E,11E)-pentadeca-8,11-dienyl]phenol
CID 136771635
4-[[2-(2,3-dimethylbutyl)-4-hydroxyphenyl]diazenyl]benzoic acid
CID 135722125
4-[(E)-octadec-9-enyl]benzoic acid
CID 67928676
calcium;2-hexyl-5-hydroxybenzoic acid;2-hexyl-5-oxidobenzoate
CID 101311063
3-hydroxy-4-undecylbenzoic acid
CID 101311225
hexadecane;4-hydroxybenzoic acid
CID 66671223
2,4-dihydroxy-6-[(E)-pentadec-8-enyl]benzoic acid
CID 22665100
3,4-didodecylbenzoic acid
CID 71073316

Frequently Asked Questions

What is the IUPAC name of 4-[[5-hydroxy-2-[(8Z,10Z)-tetradeca-8,10-dienyl]phenyl]diazenyl]benzoic acid?
The IUPAC name of 4-[[5-hydroxy-2-[(8Z,10Z)-tetradeca-8,10-dienyl]phenyl]diazenyl]benzoic acid (CID 11419132) is 4-[[5-hydroxy-2-[(8Z,10Z)-tetradeca-8,10-dienyl]phenyl]diazenyl]benzoic acid.
What is the SMILES notation for 4-[[5-hydroxy-2-[(8Z,10Z)-tetradeca-8,10-dienyl]phenyl]diazenyl]benzoic acid?
The canonical SMILES for 4-[[5-hydroxy-2-[(8Z,10Z)-tetradeca-8,10-dienyl]phenyl]diazenyl]benzoic acid is CCC/C=C\C=C/CCCCCCCc1ccc(O)cc1/N=N/c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[5-hydroxy-2-[(8Z,10Z)-tetradeca-8,10-dienyl]phenyl]diazenyl]benzoic acid?
The InChIKey is YVNFJYCUARHWFK-ZARWWILXSA-N. The full InChI is InChI=1S/C27H34N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-17-20-25(30)21-26(22)29-28-24-18-15-23(16-19-24)27(31)32/h4-7,15-21,30H,2-3,8-14H2,1H3,(H,31,32)/b5-4-,7-6-,29-28+.
What are the key properties of 4-[[5-hydroxy-2-[(8Z,10Z)-tetradeca-8,10-dienyl]phenyl]diazenyl]benzoic acid?
4-[[5-hydroxy-2-[(8Z,10Z)-tetradeca-8,10-dienyl]phenyl]diazenyl]benzoic acid has a molecular weight of 434.58 g/mol, XLogP of 8.30, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-hydroxy-2-[(8Z,10Z)-tetradeca-8,10-dienyl]phenyl]diazenyl]benzoic acid is sourced from PubChem (CID 11419132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).